Chemaxon

Chemaxon Auto Mapper API

This controller lets you assign mapping values to atoms

Documentation GitHub OpenAPI

Operations 1

POST /rest-v1/automapper/map-atoms Map molecule #

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OpenAPI Specification

openapi: 3.2.0
info:
  title: Chemaxon Auto Mapper API
  version: 26.1.3
  description: 'Operations tagged AutoMapper across 2 of this provider''s published API definitions: chemaxon-structure-manipulation-openapi.json, chemaxon-structure-manipulation-openapi.yml. Each path carries the servers of the definition it was published in.'
servers:
- url: https://jchem-microservices.chemaxon.com/structure-manipulation
tags:
- description: This controller lets you assign mapping values to atoms
  name: AutoMapper
paths:
  /rest-v1/automapper/map-atoms:
    post:
      operationId: mapMolecule
      requestBody:
        content:
          application/json:
            schema:
              $ref: '#/components/schemas/AutoMapperRequest'
        required: true
      responses:
        '200':
          content:
            application/xml:
              schema:
                type: string
          description: OK
      summary: Map molecule
      tags:
      - AutoMapper
    servers:
    - url: https://jchem-microservices.chemaxon.com/structure-manipulation
components:
  schemas:
    AutoMapperRequest:
      properties:
        format:
          type: string
          description: Optional input format
          example: smiles
        keepMapping:
          type: boolean
          default: true
          description: Keep original mapping, or reset all atoms and map from 1
        mappingStyle:
          type: string
          default: COMPLETE
          description: 'Reaction mapping style.

            Values:

            * COMPLETE: All atoms are mapped

            * MATCHING: Only matching atoms are mapped

            * CHANGING: Only reaction center is mapped

            '
          enum:
          - COMPLETE
          - MATCHING
          - CHANGING
        structure:
          type: string
          description: The molecule to map
          example: CC(C)C(O)=O.CC(C)CO>OS(O)(=O)=O>CC(C)COC(=O)C(C)C.O
      required:
      - structure
x-refined-from:
- chemaxon-structure-manipulation-openapi.json
- chemaxon-structure-manipulation-openapi.yml